-
Name
Butantrone
- EINECS
- CAS No. 75464-11-8
- Density 1.324g/cm3
- Solubility
- Melting Point
- Formula C18H16 O4
- Boiling Point 490.1°C at 760 mmHg
- Molecular Weight 296.323
- Flash Point 264.3°C
- Transport Information
- Appearance
- Safety A poison by ingestion. A mild skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols A poison by ingestion. A mild skin irritant.
- Synonyms Butantrone
- PSA 74.60000
- LogP 3.14330
10-Butyryl dithranol Chemical Properties
Product Name: 10-Butyryl dithranol
CAS Registry Number: 75464-11-8
Synonyms: 10-Butyryl dithranol ; BRN 4197920 ; Butantrona ; Butantrona [Spanish] ; Butantrone ; Butantronum ; Butantronum [Latin] ; CCRIS 2041 ; Dithranol, 10-butyryl- ; UNII-9P148IBA8M
Systematic Name: 10-Butyryl-1,8-dihydroxyanthrone ; 9(10H)-Anthracenone, 1,8-dihydroxy-10-(1-oxobutyl)- ; Butantrone
IUPAC Name: 10-butanoyl-1,8-dihydroxy-10H-anthracen-9-one
Molecular Weight: 296.31724 [g/mol]
Molecular Formula: C18H16O4
XLogP3-AA: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Surface Tension: 60.3 dyne/cm
Density: 1.324 g/cm3
Flash Point: 264.3 °C
Enthalpy of Vaporization: 78.53 kJ/mol
Boiling Point: 490.1 °C at 760 mmHg
Vapour Pressure: 3.13E-10 mmHg at 25°C
Following is the molecular structure of 10-Butyryl dithranol (CAS NO.75464-11-8) is:
10-Butyryl dithranol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 139mg/kg (139mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Archives of Toxicology. Vol. 59, Pg. 180, 1986. |
| rat | LD50 | oral | 1579mg/kg (1579mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Archives of Toxicology. Vol. 59, Pg. 180, 1986. |
10-Butyryl dithranol Safety Profile
A poison by ingestion. A mild skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
10-Butyryl dithranol Specification
Descriptors computed from structure, you can know some information about 10-Butyryl dithranol (CAS NO.75464-11-8) :
Canonical SMILES: CCCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
InChI: InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-
4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3
InChIKey: AHZXFRRDQXXPJD-UHFFFAOYSA-N
Exact Mass: 296.104859
MonoIsotopic Mass: 296.104859
Topological Polar Surface Area: 74.6
Heavy Atom Count: 22
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